CID 137949931

Methyl 1-(piperidin-3-yl)bicyclo[2.1.1]hexane-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
COC(=O)C1C2CCC1(C2)C3CCCNC3
InChI
InChI=1S/C13H21NO2/c1-16-12(15)11-9-4-5-13(11,7-9)10-3-2-6-14-8-10/h9-11,14H,2-8H2,1H3
InChIKey
PAFDKGGSLBRPIA-UHFFFAOYSA-N
Compound name
methyl 1-piperidin-3-ylbicyclo[2.1.1]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 157.3
[M+Na]+ 246.14645 160.0
[M-H]- 222.14995 157.8
[M+NH4]+ 241.19105 175.7
[M+K]+ 262.12039 160.0
[M+H-H2O]+ 206.15449 148.7
[M+HCOO]- 268.15543 168.5
[M+CH3COO]- 282.17108 166.8
[M+Na-2H]- 244.13190 159.7
[M]+ 223.15668 164.7
[M]- 223.15778 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.